Geometry & MOs

Info

ID:	243339
PubChem CID:	99218657
Reduced:	NOF4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	461.177313
ΔH_f, kcal/mol:	-227.11
Dipole, Da:	3.76
IP(EA), eV:	-9.61(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(4-thiophen-2-ylbutanoylamino)benzamide

Drug info:

PubChemData

Smile

C[C@H](CC(=O)N1CCC[C@H]1C2=CC(=CC=C2)F)C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations